5-methyl-4,7-dihydro-3H-cyclopenta[a]pentalene

C12H12 — CID 157152475

IUPAC5-methyl-4,7-dihydro-3H-cyclopenta[a]pentalene
SMILESCC1=CC2=C(C1)C1=C(C=CC1)C2
InChIInChI=1S/C12H12/c1-8-5-10-7-9-3-2-4-11(9)12(10)6-8/h2-3,5H,4,6-7H2,1H3
InChIKeyCJMAWDVCJKEXMF-UHFFFAOYSA-N
MW156.23 g/mol
LogP3.29
Rot. Bonds

About 5-methyl-4,7-dihydro-3H-cyclopenta[a]pentalene

5-methyl-4,7-dihydro-3H-cyclopenta[a]pentalene (PubChem CID 157152475) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is 5-methyl-4,7-dihydro-3H-cyclopenta[a]pentalene.

Molecular Properties

Compound Name5-methyl-4,7-dihydro-3H-cyclopenta[a]pentalene
PubChem CID157152475
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name5-methyl-4,7-dihydro-3H-cyclopenta[a]pentalene
SMILESCC1=CC2=C(C1)C1=C(C=CC1)C2
InChIInChI=1S/C12H12/c1-8-5-10-7-9-3-2-4-11(9)12(10)6-8/h2-3,5H,4,6-7H2,1H3
InChIKeyCJMAWDVCJKEXMF-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene
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CID 144971731
6-methyl-5-[3-(6-methyl-5-tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaenyl)propyl]tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaene
CID 159714692
1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene
CID 59165309
1-ethyl-2-methylcyclopenta-1,3-diene
CID 18355720
4-ethyl-1,3-dimethylcyclohepta-1,3,5-triene
CID 123687137
2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine
CID 143169128
1,2-dimethylcyclopenta-1,3-diene;zirconium
CID 174666436
(1Z,3E,5E,8Z,10E)-6-ethenyl-2,8,10-trimethyl-5-[(Z)-prop-1-enyl]bicyclo[9.5.0]hexadeca-1,3,5,8,10,13,15-heptaene
CID 143620439
13-oxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),3,7,11(16),14-hexaen-18-one
CID 87450096
ethane;(8Z)-14-methyltricyclo[8.2.2.03,7]tetradeca-3(7),4,8,10(14),11-pentaene
CID 142398385

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,7-dihydro-3H-cyclopenta[a]pentalene?
The IUPAC name of 5-methyl-4,7-dihydro-3H-cyclopenta[a]pentalene (CID 157152475) is 5-methyl-4,7-dihydro-3H-cyclopenta[a]pentalene.
What is the SMILES notation for 5-methyl-4,7-dihydro-3H-cyclopenta[a]pentalene?
The canonical SMILES for 5-methyl-4,7-dihydro-3H-cyclopenta[a]pentalene is CC1=CC2=C(C1)C1=C(C=CC1)C2.
What is the InChIKey of 5-methyl-4,7-dihydro-3H-cyclopenta[a]pentalene?
The InChIKey is CJMAWDVCJKEXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12/c1-8-5-10-7-9-3-2-4-11(9)12(10)6-8/h2-3,5H,4,6-7H2,1H3.
What are the key properties of 5-methyl-4,7-dihydro-3H-cyclopenta[a]pentalene?
5-methyl-4,7-dihydro-3H-cyclopenta[a]pentalene has a molecular weight of 156.23 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,7-dihydro-3H-cyclopenta[a]pentalene is sourced from PubChem (CID 157152475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).